Glycoside
GD039699
Name:
4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphateFormula:
C9H12O9N3PSmiles:
NC(=O)c1[nH+]cn([C@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c1[O-]Aglycone:
COP(=O)([O-])[O-].NC(=O)C1=C([O-])[N]C=[NH+]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -5.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.18 | Num_heavy_atoms: | 22 |
| TPSA: | 207.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD24510
Formula: C4H4O2N3
Smiles:
NC(=O)C1=C([O-])[N]C=[NH+]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.09 | Num_heavy_atoms: | 9 |
| TPSA: | 94.22 | NumAromaticRings: | 0 |
